Dear Users,
While doing the afm pulling I have observed a difference in the units of
pull rate between the pull.ppa (nm/ps) and PULL INFO (nm/ns) given in the
log output of the run. I am using Gromacs 3.3.
Is it a typo error or real ?
Attached below is a section of my log file;
**************************************************
PULL INFO
**************************************************
RUN TYPE: Afm
REFERENCE TYPE: center of mass of reference group
Looking for group OXY: found group OXY: 3 elements. First: 13
Looking for group REF: found group REF: 3 elements. First: 14497
Initializing pull groups. Inv. mass of group 1: 0.020834
Initial coordinates center of mass: 1.664 1.851 1.867
Initializing reference group. Inv. mass: 0.000000
Initial coordinates center of mass: 0.000 0.000 0.000
Initial distance of group 1: 3.111
Pull rate: 5.000000e-02 nm/ns. Force constant: 5.000000e+03 kJ/(mol nm)
Pull direction: 0.535 0.595 0.600
******************************************************************************************
Sincerely,
M. N. Manoj
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